N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(4-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2CC#C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C18H13N3O3S/c1-3-11-20-16-12(2)7-6-10-15(16)25-18(20)19-17(22)13-8-4-5-9-14(13)21(23)24/h1,4-10H,11H2,2H3